SCHEMBL18436981

SCHEMBL18436981

C=C(O)c1cncc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
HCAR2 Q8TDS4 1/20 0.63
HTT P42858 4/20 0.53
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.46
PTK2 Q05397 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
ROCK2 O75116 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 2/20 0.42
EGFR P00533 2/20 0.42
SMYD3 Q9H7B4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL747240 0.80 POLB (0.55) POLBHCAR2HTTALOX15KDM4E
SCHEMBL13808099 0.80 POLB (0.55) POLBHCAR2HTTALOX15KDM4E
SCHEMBL15400735 0.80 POLB (0.55) POLBHCAR2HTTALOX15KDM4E
Formaldehyde SCHEMBL27682220 0.78 HCAR2 (0.92) POLBHCAR2HTTALOX15KDM4E
SCHEMBL29603529 0.77 HCAR2 (1.00) POLBHCAR2HTTALOX15KDM4E
SCHEMBL112388 0.77 HCAR2 (1.00) POLBHCAR2HTTALOX15KDM4E
SCHEMBL1502732 0.77 POLB (0.52) POLBHCAR2HTTALOX15KDM4E
SCHEMBL10461109 0.76 HCAR2 (0.96) POLBHCAR2HTTALOX15KDM4E
Hydrochloric Acid SCHEMBL30444355 0.76 HCAR2 (0.96) POLBHCAR2HTTALOX15KDM4E
Hydrochloric Acid SCHEMBL6525205 0.76 HCAR2 (0.96) POLBHCAR2HTTALOX15KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3575288-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-12-04 EP disclosed
EP-3124475-B1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-07 EP disclosed
EP-3124475-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2017-02-01 EP disclosed